(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one

C21H20N8O — CID 72714481

IUPAC(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3=O)n2)n1
InChIInChI=1S/C21H20N8O/c1-13-9-23-12-17(26-13)16-8-18-14(10-24-16)11-25-29(18)20-6-2-5-19(27-20)28-7-3-4-15(22)21(28)30/h2,5-6,8-12,15H,3-4,7,22H2,1H3/t15-/m0/s1
InChIKeyURRUOKGGTGKOSU-HNNXBMFYSA-N
MW400.45 g/mol
LogP2.04
Rot. Bonds3

About (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one

(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one (PubChem CID 72714481) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one
PubChem CID72714481
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3=O)n2)n1
InChIInChI=1S/C21H20N8O/c1-13-9-23-12-17(26-13)16-8-18-14(10-24-16)11-25-29(18)20-6-2-5-19(27-20)28-7-3-4-15(22)21(28)30/h2,5-6,8-12,15H,3-4,7,22H2,1H3/t15-/m0/s1
InChIKeyURRUOKGGTGKOSU-HNNXBMFYSA-N
XLogP2.04
TPSA115.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one (CID 72714481) is (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3=O)n2)n1.
What is the InChIKey of (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one?
The InChIKey is URRUOKGGTGKOSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-13-9-23-12-17(26-13)16-8-18-14(10-24-16)11-25-29(18)20-6-2-5-19(27-20)28-7-3-4-15(22)21(28)30/h2,5-6,8-12,15H,3-4,7,22H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one?
(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one has a molecular weight of 400.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 72714481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).